[Pw_forum] quantum espresso

somayeh fotohi somayehfotohi at yahoo.com
Thu Jan 12 20:06:04 CET 2012


hi,

I am a new user of quantum espresso. I found your address from your mail to pw_forum at pwscf.org. 
I want to relax a structure with 32 atoms carbon and topological defect.Now, the program is running and 24 step of relaxation calculation has done but the structure hasn’t relax.
Is it correct that I stop running  the program and change the position of atoms ?
thanks.
somayeh fotoohi
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